propyl 4-ethoxy-2-methyl-5-propoxypentanoate

C14H28O4 — CID 59086296

IUPACpropyl 4-ethoxy-2-methyl-5-propoxypentanoate
SMILESCCCOCC(CC(C)C(=O)OCCC)OCC
InChIInChI=1S/C14H28O4/c1-5-8-16-11-13(17-7-3)10-12(4)14(15)18-9-6-2/h12-13H,5-11H2,1-4H3
InChIKeyUMNRVRHDGDLJNM-UHFFFAOYSA-N
MW260.37 g/mol
LogP2.80
Rot. Bonds11

About propyl 4-ethoxy-2-methyl-5-propoxypentanoate

propyl 4-ethoxy-2-methyl-5-propoxypentanoate (PubChem CID 59086296) has the molecular formula C14H28O4 and a molecular weight of 260.37 g/mol. Its IUPAC name is propyl 4-ethoxy-2-methyl-5-propoxypentanoate.

Molecular Properties

Compound Namepropyl 4-ethoxy-2-methyl-5-propoxypentanoate
PubChem CID59086296
Molecular FormulaC14H28O4
Molecular Weight260.37 g/mol
Exact Mass260.20
IUPAC Namepropyl 4-ethoxy-2-methyl-5-propoxypentanoate
SMILESCCCOCC(CC(C)C(=O)OCCC)OCC
InChIInChI=1S/C14H28O4/c1-5-8-16-11-13(17-7-3)10-12(4)14(15)18-9-6-2/h12-13H,5-11H2,1-4H3
InChIKeyUMNRVRHDGDLJNM-UHFFFAOYSA-N
XLogP2.80
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propyl 4-ethoxy-2-methyl-5-propoxypentanoate?
The IUPAC name of propyl 4-ethoxy-2-methyl-5-propoxypentanoate (CID 59086296) is propyl 4-ethoxy-2-methyl-5-propoxypentanoate.
What is the SMILES notation for propyl 4-ethoxy-2-methyl-5-propoxypentanoate?
The canonical SMILES for propyl 4-ethoxy-2-methyl-5-propoxypentanoate is CCCOCC(CC(C)C(=O)OCCC)OCC.
What is the InChIKey of propyl 4-ethoxy-2-methyl-5-propoxypentanoate?
The InChIKey is UMNRVRHDGDLJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O4/c1-5-8-16-11-13(17-7-3)10-12(4)14(15)18-9-6-2/h12-13H,5-11H2,1-4H3.
What are the key properties of propyl 4-ethoxy-2-methyl-5-propoxypentanoate?
propyl 4-ethoxy-2-methyl-5-propoxypentanoate has a molecular weight of 260.37 g/mol, XLogP of 2.80, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-ethoxy-2-methyl-5-propoxypentanoate is sourced from PubChem (CID 59086296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).